1-(3-bromophenyl)-N-[(4-chlorothiophen-2-yl)methyl]methanamine

C12H11BrClNS — CID 79419312

IUPAC1-(3-bromophenyl)-N-[(4-chlorothiophen-2-yl)methyl]methanamine
SMILESClc1csc(CNCc2cccc(Br)c2)c1
InChIInChI=1S/C12H11BrClNS/c13-10-3-1-2-9(4-10)6-15-7-12-5-11(14)8-16-12/h1-5,8,15H,6-7H2
InChIKeyFUSJLALCICZDAS-UHFFFAOYSA-N
MW316.65 g/mol
LogP4.45
Rot. Bonds4

About 1-(3-bromophenyl)-N-[(4-chlorothiophen-2-yl)methyl]methanamine

1-(3-bromophenyl)-N-[(4-chlorothiophen-2-yl)methyl]methanamine (PubChem CID 79419312) has the molecular formula C12H11BrClNS and a molecular weight of 316.65 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[(4-chlorothiophen-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[(4-chlorothiophen-2-yl)methyl]methanamine
PubChem CID79419312
Molecular FormulaC12H11BrClNS
Molecular Weight316.65 g/mol
Exact Mass314.95
IUPAC Name1-(3-bromophenyl)-N-[(4-chlorothiophen-2-yl)methyl]methanamine
SMILESClc1csc(CNCc2cccc(Br)c2)c1
InChIInChI=1S/C12H11BrClNS/c13-10-3-1-2-9(4-10)6-15-7-12-5-11(14)8-16-12/h1-5,8,15H,6-7H2
InChIKeyFUSJLALCICZDAS-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.65
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)methanamine
CID 79420434
N-[(4-bromothiophen-2-yl)methyl]-1-phenylmethanamine
CID 4792507
1-(2-chlorophenyl)-N-[(4-chlorothiophen-2-yl)methyl]methanamine
CID 79420026
N-[(3-bromophenyl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103437645
1-(3-bromophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 63280012
1-(3-bromophenyl)-N-[(3,5-dimethylphenyl)methyl]methanamine
CID 54984173
1-(3-bromophenyl)-N-chloromethanamine
CID 90399369
N-[(3-bromophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 60700066
N-[(4-bromothiophen-2-yl)methyl]-1-pyridin-3-ylmethanamine
CID 28833084
N-[(3-bromophenyl)methyl]-2-chloropropan-1-amine
CID 65024298
1-(3-bromophenyl)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]methanamine
CID 115597102
1-(3-bromophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine
CID 79496120

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[(4-chlorothiophen-2-yl)methyl]methanamine?
The IUPAC name of 1-(3-bromophenyl)-N-[(4-chlorothiophen-2-yl)methyl]methanamine (CID 79419312) is 1-(3-bromophenyl)-N-[(4-chlorothiophen-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-[(4-chlorothiophen-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3-bromophenyl)-N-[(4-chlorothiophen-2-yl)methyl]methanamine is Clc1csc(CNCc2cccc(Br)c2)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-[(4-chlorothiophen-2-yl)methyl]methanamine?
The InChIKey is FUSJLALCICZDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClNS/c13-10-3-1-2-9(4-10)6-15-7-12-5-11(14)8-16-12/h1-5,8,15H,6-7H2.
What are the key properties of 1-(3-bromophenyl)-N-[(4-chlorothiophen-2-yl)methyl]methanamine?
1-(3-bromophenyl)-N-[(4-chlorothiophen-2-yl)methyl]methanamine has a molecular weight of 316.65 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[(4-chlorothiophen-2-yl)methyl]methanamine is sourced from PubChem (CID 79419312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).